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SCHEMBL16788601

SCHEMBL16788601

CC(=O)NC1C(O)CC(OC(CO)[C@@H](O)C2OC(OC3C(O)C(OC4C(CO)OC(Oc5ccc(N)cc5)C(O)C4O)OC(CO)C3OC3OC(CO)C(O)C(O)C3NC(C)=O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC7 Q9Y286 6/20 0.57
▸ SELL P14151 1/20 0.51
▸ SELP P16109 1/20 0.51
▸ MAG P20916 8/20 0.51
▸ SELE P16581 4/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16788602 0.96 SIGLEC7 (0.62) SIGLEC7SELLSELPMAGSELE
SCHEMBL16788729 0.90 SIGLEC7 (0.61) SIGLEC7SELLSELPMAGSELE
SCHEMBL18160539 0.86 SIGLEC7 (0.58) SIGLEC7SELLSELPMAGSELE
SCHEMBL16788538 0.84 SIGLEC7 (0.69) SIGLEC7SELLSELPMAGSELE
SCHEMBL14885540 0.84 SIGLEC7 (0.69) SIGLEC7SELLSELPMAGSELE
SCHEMBL31668633 0.84 SIGLEC7 (0.69) SIGLEC7SELLSELPMAGSELE
SCHEMBL29532940 0.84 SIGLEC7 (0.69) SIGLEC7SELLSELPMAGSELE
SCHEMBL30147369 0.84 SIGLEC7 (0.69) SIGLEC7SELLSELPMAGSELE
SCHEMBL16788544 0.83 SIGLEC7 (0.72) SIGLEC7SELLSELPMAGSELE
SCHEMBL30147370 0.83 SIGLEC7 (0.71) SIGLEC7SELLSELPMAGSELE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081438-A1 ANTI-GANGLIOSIDE COMPOUND FOR TARGETING CANCER AND GENERATING ANTIBODIES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-06-11 — — WO disclosed
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